1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine

C15H23BrClNO — CID 116759497

IUPAC1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyHZIREEZSXGEKNE-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.57
Rot. Bonds7

About 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine

1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine (PubChem CID 116759497) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
PubChem CID116759497
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyHZIREEZSXGEKNE-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759645
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
ethyl 3-(4-bromo-2-chlorophenyl)-2-chloropropanoate
CID 83195199
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
ethyl (2R,4R)-4-amino-5-(4-bromo-2-chlorophenyl)-2-hydroxy-3-oxopentanoate
CID 135215437
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
ethyl (4R)-4-amino-5-(4-bromo-2-chlorophenyl)-2-hydroxypentanoate
CID 126659777
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine (CID 116759497) is 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine is CCOC(CC)(CC)C(N)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The InChIKey is HZIREEZSXGEKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine has a molecular weight of 348.71 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 116759497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).